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1-(p-Tolylthio)octan-2-ol
SpectraBase Compound ID BnMAB4qIJd3
InChI InChI=1S/C15H24OS/c1-3-4-5-6-7-14(16)12-17-15-10-8-13(2)9-11-15/h8-11,14,16H,3-7,12H2,1-2H3
InChIKey XHTITJTUMPSBJO-UHFFFAOYSA-N
Mol Weight 252.42 g/mol
Molecular Formula C15H24OS
Exact Mass 252.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPeDihudqsK
Name 1-(p-Tolylthio)octan-2-ol
Alternate Name(s) 1-[(4-methylphenyl)thio]-2-octanol 1-(p-tolylsulfanyl)octan-2-ol
Comments Less than 3 mono-isotopic peaks
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Formula C15H24OS
InChI InChI=1S/C15H24OS/c1-3-4-5-6-7-14(16)12-17-15-10-8-13(2)9-11-15/h8-11,14,16H,3-7,12H2,1-2H3
InChIKey XHTITJTUMPSBJO-UHFFFAOYSA-N
Molecular Weight 252.416 g/mol
SMILES OC(CSc1ccc(cc1)C)CCCCCC
SPLASH splash10-000i-0930000000-c4ef878b67410341c0a8
Source of Spectrum F-65-5243-3x
Wiley ID 1679976